Chem
J-GLOBAL ID：200907041797191092
Nikkaji number：J1.805.853G
2-[[3-(Methoxycarbonyl)-6α-hydroxy-2,4-cyclohexadiene-1β-yl]methyl]acrylic acid methyl ester
2-[[3-(メトキシカルボニル)-6α-ヒドロキシ-2,4-シクロヘキサジエン-1β-イル]メチル]アクリル酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H16O5
Molecular formula furigana： C13-H16-O5
Molecular weight： 252.266
InChI：
InChI=1S/C13H16O5/c1-8(12(15)17-2)6-10-7-9(13(16)18-3)4-5-11(10)14/h4-5,7,10-11,14H,1,6H2,2-3H3/t10-,11-/m0/s1
InChI key：
YXPIYGIHLQDNHI-QWRGUYRKSA-N
SMILES：
COC(=O)C(=C)C[C@H]1C=C(C=C[C@@H]1O)C(=O)OC
Systematic name (3)：
- 2-[[3-(メトキシカルボニル)-6α-ヒドロキシ-2,4-シクロヘキサジエン-1β-イル]メチル]アクリル酸メチル
- メチル (3S,4S)-4-ヒドロキシ-3-(3-メトキシ-2-メチリデン-3-オキソプロピル)シクロヘキサ-1,5-ジエン-1-カルボキシラート
- methyl (3S,4S)-4-hydroxy-3-(3-methoxy-2-methylidene-3-oxopropyl)cyclohexa-1,5-diene-1-carboxylate
- 2-[[3-(Methoxycarbonyl)-6α-hydroxy-2,4-cyclohexadiene-1β-yl]methyl]acrylic acid methyl ester
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